N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine

C13H24Cl2N2O2 — CID 162705588

IUPACN-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine
SMILESClNC1(COCOCC2(NCl)CCCC2)CCCC1
InChIInChI=1S/C13H24Cl2N2O2/c14-16-12(5-1-2-6-12)9-18-11-19-10-13(17-15)7-3-4-8-13/h16-17H,1-11H2
InChIKeyQVDHNDDOMMWQSL-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.09
Rot. Bonds8

About N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine

N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine (PubChem CID 162705588) has the molecular formula C13H24Cl2N2O2 and a molecular weight of 311.25 g/mol. Its IUPAC name is N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine
PubChem CID162705588
Molecular FormulaC13H24Cl2N2O2
Molecular Weight311.25 g/mol
Exact Mass310.12
IUPAC NameN-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine
SMILESClNC1(COCOCC2(NCl)CCCC2)CCCC1
InChIInChI=1S/C13H24Cl2N2O2/c14-16-12(5-1-2-6-12)9-18-11-19-10-13(17-15)7-3-4-8-13/h16-17H,1-11H2
InChIKeyQVDHNDDOMMWQSL-UHFFFAOYSA-N
XLogP3.09
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-chloro-1-ethylcycloheptan-1-amine
CID 142970343
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1-(chloromethyl)-N-(cyclopropylmethyl)cyclohexan-1-amine
CID 65025149
1-(chloromethyl)-N-propan-2-ylcyclohexan-1-amine
CID 65024608
1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 65025714
1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
CID 104649733
1-(chloromethyl)-N-(2,2-difluoroethyl)cyclopentan-1-amine
CID 65025598
1-ethyl-N-(1-ethylcyclopentyl)cyclopentan-1-amine
CID 22930909
1-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 115909664
N-[1-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 119565474
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
[1-(cyclobutylmethylamino)cyclohexyl]methanol
CID 65459866

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine?
The IUPAC name of N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine (CID 162705588) is N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine?
The canonical SMILES for N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine is ClNC1(COCOCC2(NCl)CCCC2)CCCC1.
What is the InChIKey of N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine?
The InChIKey is QVDHNDDOMMWQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Cl2N2O2/c14-16-12(5-1-2-6-12)9-18-11-19-10-13(17-15)7-3-4-8-13/h16-17H,1-11H2.
What are the key properties of N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine?
N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine has a molecular weight of 311.25 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[[1-(chloroamino)cyclopentyl]methoxymethoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 162705588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).